6542 <common-name>4,8-DIMETHYL-3,7-NONADIEN-2-ONE</common-name> <description>4,8-DIMETHYL-3,7-NONADIEN-2-ONE belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C11H18O and an average molecular weight of 166.26 g/mol. It is categorized under the superclass of lipids and lipid-like molecules. In industrial applications, 4,8-DIMETHYL-3,7-NONADIEN-2-ONE is utilized as a flavouring and a nutrient.</description> <cas>817-88-9</cas> <pubchem-id>549663</pubchem-id> <chemical-formula>C11H18O</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T02:02:09Z</created-at> <updated-at type="dateTime">2026-04-06T12:47:49Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)=CCCC(C)=CC(C)=O</moldb-smiles> <moldb-formula>C11H18O</moldb-formula> <moldb-inchi>InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3</moldb-inchi> <moldb-inchikey>QAFYGHBGWCPRCI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">166.264</moldb-average-mass> <moldb-mono-mass type="decimal">166.1357652</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM005437</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00124590</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>54.6006</moldb-refractivity> <moldb-polarizability>20.56176455739417</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.769692227214787</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.419398697263616</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.69</moldb-alogps-logp> <moldb-alogps-logs>-2.67</moldb-alogps-logs> <moldb-alogps-solubility>3.53e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0042334</sync-id> <structure-inchikey>QAFYGHBGWCPRCI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800004000000000000000000000000000000000000000000000000000000000000000400000000004000000000000000000100000000000000000000000000000000000000000020000000000200000000000000000080000000010000000000000000000000000000000000000000000000000100400000000040000000000000008000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000004000000000000008020200000000000000002000000000000000200000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAACwAAAIABBgBgAAAAAQMGACgAAAAD BAYAYAAAAAEDBgBoAAAAAwMBBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMEBgBg AAAAAQMGAGgAAAADAwEGACgAAAADBAYAYAAAAAEDCAAoAAAAAwILAAEAAQIA AQMIAgMEAAQFAAUGAAYHAAYIKAIICSAJCgAJCygCQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:23Z</structure-indexed-at> </compound>